1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene

C13H8F4O — CID 46313769

IUPAC1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H8F4O/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(15,16)17/h1-8H
InChIKeyQAGZZCUJWBGQLM-UHFFFAOYSA-N
MW256.20 g/mol
LogP4.39
Rot. Bonds2

About 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene

1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 46313769) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID46313769
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H8F4O/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(15,16)17/h1-8H
InChIKeyQAGZZCUJWBGQLM-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene (CID 46313769) is 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene is Fc1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is QAGZZCUJWBGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)18-13(15,16)17/h1-8H.
What are the key properties of 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene?
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 256.20 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 46313769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).